4-nitro-3-(trifluoromethyl)naphthalen-1-ol

C11H6F3NO3 — CID 162194943

IUPAC4-nitro-3-(trifluoromethyl)naphthalen-1-ol
SMILESO=[N+]([O-])c1c(C(F)(F)F)cc(O)c2ccccc12
InChIInChI=1S/C11H6F3NO3/c12-11(13,14)8-5-9(16)6-3-1-2-4-7(6)10(8)15(17)18/h1-5,16H
InChIKeyZQUVFHJEXBTORM-UHFFFAOYSA-N
MW257.17 g/mol
LogP3.47
Rot. Bonds1

About 4-nitro-3-(trifluoromethyl)naphthalen-1-ol

4-nitro-3-(trifluoromethyl)naphthalen-1-ol (PubChem CID 162194943) has the molecular formula C11H6F3NO3 and a molecular weight of 257.17 g/mol. Its IUPAC name is 4-nitro-3-(trifluoromethyl)naphthalen-1-ol.

Molecular Properties

Compound Name4-nitro-3-(trifluoromethyl)naphthalen-1-ol
PubChem CID162194943
Molecular FormulaC11H6F3NO3
Molecular Weight257.17 g/mol
Exact Mass257.03
IUPAC Name4-nitro-3-(trifluoromethyl)naphthalen-1-ol
SMILESO=[N+]([O-])c1c(C(F)(F)F)cc(O)c2ccccc12
InChIInChI=1S/C11H6F3NO3/c12-11(13,14)8-5-9(16)6-3-1-2-4-7(6)10(8)15(17)18/h1-5,16H
InChIKeyZQUVFHJEXBTORM-UHFFFAOYSA-N
XLogP3.47
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-nitro-5-(trifluoromethyl)phenol
CID 131259234
5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonamide
CID 134669008
5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carbonyl chloride
CID 134670731
3,4-dinitro-5-(trifluoromethyl)benzenesulfonyl fluoride
CID 45274637
1-[3-hydroxy-2-nitro-4-(trifluoromethyl)phenyl]ethanone
CID 171027597
4-bromo-2-nitro-5-(trifluoromethyl)phenol
CID 86727299
5-(trifluoromethyl)naphthalen-1-ol
CID 90487530
[3-chloro-4-nitro-5-(trifluoromethyl)phenyl]-phenylcarbamic acid
CID 67233128
2-nitro-3-(trifluoromethyl)benzenesulfonyl fluoride
CID 45274332
4-[4-hydroxy-3-nitro-5-(trifluoromethyl)phenyl]-2-nitro-6-(trifluoromethyl)phenol
CID 141042032
lead(2+);2-nitrobenzene-1,3-diol
CID 21125062
[2-nitro-3,4-bis(trifluoromethyl)phenyl]methanol
CID 134638914

Frequently Asked Questions

What is the IUPAC name of 4-nitro-3-(trifluoromethyl)naphthalen-1-ol?
The IUPAC name of 4-nitro-3-(trifluoromethyl)naphthalen-1-ol (CID 162194943) is 4-nitro-3-(trifluoromethyl)naphthalen-1-ol.
What is the SMILES notation for 4-nitro-3-(trifluoromethyl)naphthalen-1-ol?
The canonical SMILES for 4-nitro-3-(trifluoromethyl)naphthalen-1-ol is O=[N+]([O-])c1c(C(F)(F)F)cc(O)c2ccccc12.
What is the InChIKey of 4-nitro-3-(trifluoromethyl)naphthalen-1-ol?
The InChIKey is ZQUVFHJEXBTORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO3/c12-11(13,14)8-5-9(16)6-3-1-2-4-7(6)10(8)15(17)18/h1-5,16H.
What are the key properties of 4-nitro-3-(trifluoromethyl)naphthalen-1-ol?
4-nitro-3-(trifluoromethyl)naphthalen-1-ol has a molecular weight of 257.17 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-3-(trifluoromethyl)naphthalen-1-ol is sourced from PubChem (CID 162194943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).